Mrv1533004261513182D 13 14 0 0 0 0 999 V2000 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 2 13 1 0 0 0 0 6 13 1 0 0 0 0 M END > NP0176114 > NP-MRD > CC1CCCC2(C)C=CC(=O)C=C12 > InChI=1S/C12H16O/c1-9-4-3-6-12(2)7-5-10(13)8-11(9)12/h5,7-9H,3-4,6H2,1-2H3 > SPNLYFPIWOEXSG-UHFFFAOYSA-N > C12H16O > 176.259 > 176.120115135 > 1 > 29 > 20.366682985901775 > 1 > 0 > 0 > 1 > 4a,8-dimethyl-2,4a,5,6,7,8-hexahydronaphthalen-2-one > 2.67 > 3.0266992556666663 > -3.07 > 0 > 2 > 0 > 19.711111497111418 > -5.0442238736152225 > 17.07 > 55.68809999999999 > 0 > 1 > 1.49e-01 g/l > 4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one > 1 > NP0176114 > 4a,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one $$$$